ethyl 2,2-difluoro-2-(1-hydroxy-2-methoxycyclohexyl)acetate

C11H18F2O4 — CID 106874296

IUPACethyl 2,2-difluoro-2-(1-hydroxy-2-methoxycyclohexyl)acetate
SMILESCCOC(=O)C(F)(F)C1(O)CCCCC1OC
InChIInChI=1S/C11H18F2O4/c1-3-17-9(14)11(12,13)10(15)7-5-4-6-8(10)16-2/h8,15H,3-7H2,1-2H3
InChIKeySLHVYTZRNCUYSJ-UHFFFAOYSA-N
MW252.26 g/mol
LogP1.50
Rot. Bonds4

About ethyl 2,2-difluoro-2-(1-hydroxy-2-methoxycyclohexyl)acetate

ethyl 2,2-difluoro-2-(1-hydroxy-2-methoxycyclohexyl)acetate (PubChem CID 106874296) has the molecular formula C11H18F2O4 and a molecular weight of 252.26 g/mol. Its IUPAC name is ethyl 2,2-difluoro-2-(1-hydroxy-2-methoxycyclohexyl)acetate.

Molecular Properties

Compound Nameethyl 2,2-difluoro-2-(1-hydroxy-2-methoxycyclohexyl)acetate
PubChem CID106874296
Molecular FormulaC11H18F2O4
Molecular Weight252.26 g/mol
Exact Mass252.12
IUPAC Nameethyl 2,2-difluoro-2-(1-hydroxy-2-methoxycyclohexyl)acetate
SMILESCCOC(=O)C(F)(F)C1(O)CCCCC1OC
InChIInChI=1S/C11H18F2O4/c1-3-17-9(14)11(12,13)10(15)7-5-4-6-8(10)16-2/h8,15H,3-7H2,1-2H3
InChIKeySLHVYTZRNCUYSJ-UHFFFAOYSA-N
XLogP1.50
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-difluoro-2-(1-hydroxy-2-methoxycyclohexyl)acetate?
The IUPAC name of ethyl 2,2-difluoro-2-(1-hydroxy-2-methoxycyclohexyl)acetate (CID 106874296) is ethyl 2,2-difluoro-2-(1-hydroxy-2-methoxycyclohexyl)acetate.
What is the SMILES notation for ethyl 2,2-difluoro-2-(1-hydroxy-2-methoxycyclohexyl)acetate?
The canonical SMILES for ethyl 2,2-difluoro-2-(1-hydroxy-2-methoxycyclohexyl)acetate is CCOC(=O)C(F)(F)C1(O)CCCCC1OC.
What is the InChIKey of ethyl 2,2-difluoro-2-(1-hydroxy-2-methoxycyclohexyl)acetate?
The InChIKey is SLHVYTZRNCUYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2O4/c1-3-17-9(14)11(12,13)10(15)7-5-4-6-8(10)16-2/h8,15H,3-7H2,1-2H3.
What are the key properties of ethyl 2,2-difluoro-2-(1-hydroxy-2-methoxycyclohexyl)acetate?
ethyl 2,2-difluoro-2-(1-hydroxy-2-methoxycyclohexyl)acetate has a molecular weight of 252.26 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-difluoro-2-(1-hydroxy-2-methoxycyclohexyl)acetate is sourced from PubChem (CID 106874296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).